methyl 3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]-4-fluoro-benzoate CAS Name: 3-[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-fluorobenzoate Traditional Name: 3-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C19H18ClFN2O6S MolecularWeight: 456.872423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H18ClFN2O6S/c1-28-19(25)12-2-5-16(21)17(10-12)22-18(24)14-11-13(3-4-15(14)20)30(26,27)23-6-8-29-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,22,24)